2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide

C19H15N3O6 — CID 6862050

IUPAC2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)ccc12
InChIInChI=1S/C19H15N3O6/c1-12-8-19(24)28-17-9-15(6-7-16(12)17)27-11-18(23)21-20-10-13-2-4-14(5-3-13)22(25)26/h2-10H,11H2,1H3,(H,21,23)/b20-10+
InChIKeyGUQPBXIXRYCSEN-KEBDBYFISA-N
MW381.34 g/mol
LogP2.54
Rot. Bonds6

About 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide

2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide (PubChem CID 6862050) has the molecular formula C19H15N3O6 and a molecular weight of 381.34 g/mol. Its IUPAC name is 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide
PubChem CID6862050
Molecular FormulaC19H15N3O6
Molecular Weight381.34 g/mol
Exact Mass381.10
IUPAC Name2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)ccc12
InChIInChI=1S/C19H15N3O6/c1-12-8-19(24)28-17-9-15(6-7-16(12)17)27-11-18(23)21-20-10-13-2-4-14(5-3-13)22(25)26/h2-10H,11H2,1H3,(H,21,23)/b20-10+
InChIKeyGUQPBXIXRYCSEN-KEBDBYFISA-N
XLogP2.54
TPSA124.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]-2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetohydrazide
CID 135521465
N'-[(E)-[4-(Dimethylamino)phenyl]methylidene]-2-[(4-methyl-2-oxo-2H-chromen-7-YL)oxy]acetohydrazide
CID 6881773
N'-(4-Nitrobenzylidene)-2-phenoxyacetohydrazide
CID 9556570
2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]-N'-[(E)-(2-nitrophenyl)methylidene]acetohydrazide
CID 9619223
4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-7-phenylmethoxychromen-2-one
CID 57399736
2-(4-Methylphenoxy)-N'-(4-nitrobenzylidene)acetohydrazide
CID 6893382
2-(4-Methylphenoxy)-N'-(3-nitrobenzylidene)acetohydrazide
CID 9615923
N'-(4-Ethoxybenzylidene)-2-(4-nitrophenoxy)acetohydrazide
CID 9616249
N'-(3-Nitrobenzylidene)-2-(4-propylphenoxy)acetohydrazide
CID 9678529
N'-(2,4-Dihydroxybenzylidene)-2-(4-nitrophenoxy)propanohydrazide
CID 135683322
2-(7-hydroxy-2-oxochromen-4-yl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 25149030
4-[(Z)-(phenylhydrazinylidene)methyl]-7-phenylmethoxychromen-2-one
CID 56928517

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide (CID 6862050) is 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide is Cc1cc(=O)oc2cc(OCC(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)ccc12.
What is the InChIKey of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide?
The InChIKey is GUQPBXIXRYCSEN-KEBDBYFISA-N. The full InChI is InChI=1S/C19H15N3O6/c1-12-8-19(24)28-17-9-15(6-7-16(12)17)27-11-18(23)21-20-10-13-2-4-14(5-3-13)22(25)26/h2-10H,11H2,1H3,(H,21,23)/b20-10+.
What are the key properties of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide?
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide has a molecular weight of 381.34 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 6862050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).